SCHEMBL489511

SCHEMBL489511

CCCCC(NCc1ccc(NC(=O)c2c(C)cccc2C(=O)O)cc1)C(=O)CNC(=O)C(CS)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.38
AGTR1 P30556 3/20 0.38
ITGB1 P05556 10/20 0.35
ITGA4 P13612 10/20 0.35
ITGA2 P17301 1/20 0.35
ITGB7 P26010 1/20 0.35
TLR2 O60603 1/20 0.34
FFAR1 O14842 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL489359 0.91 MME (0.41) MMEAGTR1ITGB1ITGA4ITGA2
SCHEMBL489507 0.82 MME (0.55) MMEAGTR1
SCHEMBL489508 0.79 LTB4R2 (0.39) MMEAGTR1ITGB1ITGA4ITGA2
SCHEMBL489513 0.79 SCN8A (0.38) MMEAGTR1ITGB1ITGA4ITGA2
SCHEMBL489510 0.73 CNR2 (0.37) MMEAGTR1FFAR1
SCHEMBL16088671 0.72 TRPV1 (0.56) FFAR1
SCHEMBL489307 0.71 MME (0.56) MMEAGTR1
SCHEMBL489354 0.70 MME (0.39) MMEAGTR1
SCHEMBL489363 0.70 SCN8A (0.37) MMEAGTR1ITGB1ITGA4ITGA2
SCHEMBL489426 0.69 LTB4R2 (0.51) MMEAGTR1TLR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 MME 5/4885AGTR1 1/4885ITGB1 4520/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885AGTR1 1/4885ITGB1 4520/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885AGTR1 1/4885ITGB1 4520/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.